5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile

C14H19N3O2 — CID 114397814

IUPAC5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CN2CCOC(CN)C2)cc1C#N
InChIInChI=1S/C14H19N3O2/c1-18-14-3-2-11(6-12(14)7-15)9-17-4-5-19-13(8-16)10-17/h2-3,6,13H,4-5,8-10,16H2,1H3
InChIKeyHOACKNVGQMYAGF-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.73
Rot. Bonds4

About 5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile

5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile (PubChem CID 114397814) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile
PubChem CID114397814
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CN2CCOC(CN)C2)cc1C#N
InChIInChI=1S/C14H19N3O2/c1-18-14-3-2-11(6-12(14)7-15)9-17-4-5-19-13(8-16)10-17/h2-3,6,13H,4-5,8-10,16H2,1H3
InChIKeyHOACKNVGQMYAGF-UHFFFAOYSA-N
XLogP0.73
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393440
4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881842
2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzonitrile
CID 66392107
4-[(3-bromo-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 78946188
[4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393408
2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
CID 65343965
[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
CID 120844436
5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65344066
2-methoxy-5-[[4-(oxan-4-yl)piperidin-1-yl]methyl]benzonitrile
CID 84589683
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393343

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile (CID 114397814) is 5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile is COc1ccc(CN2CCOC(CN)C2)cc1C#N.
What is the InChIKey of 5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile?
The InChIKey is HOACKNVGQMYAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-18-14-3-2-11(6-12(14)7-15)9-17-4-5-19-13(8-16)10-17/h2-3,6,13H,4-5,8-10,16H2,1H3.
What are the key properties of 5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile?
5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile has a molecular weight of 261.32 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 114397814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).